Exact Mass: 542.1729
Exact Mass Matches: 542.1729
Found 414 metabolites which its exact mass value is equals to given mass value 542.1729
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Flocoumafen
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate
3,3'-Bisanigorufone
3,3-Bisanigorufone is found in fruits. 3,3-Bisanigorufone is a constituent of the rhizomes of Musa acuminata (dwarf banana). Constituent of the rhizomes of Musa acuminata (dwarf banana). 3,3-Bisanigorufone is found in fruits.
Resveratrol 4'-(2-galloylglucoside)
Resveratrol 4-(2-galloylglucoside) is found in green vegetables. Resveratrol 4-(2-galloylglucoside) is isolated from commercial rhubarbs (Rheum species). Isolated from commercial rhubarbs (Rheum subspecies). (E)-Resveratrol 4-(2-galloylglucoside) is found in green vegetables.
Resveratrol 4'-(6-galloylglucoside)
Resveratrol 4-(6-galloylglucoside) is found in green vegetables. Isolated from commercial Japanese rhubarbs (Rheum species) Isol from coml. Japanese rhubarbs (Rheum subspecies). (E)-Resveratrol 4-(6-galloylglucoside) is found in green vegetables.
Italidipyrone
Italidipyrone is found in herbs and spices. Italidipyrone is a constituent of Helichrysum italicum (curry plant). Constituent of Helichrysum italicum (curry plant). Italidipyrone is found in tea and herbs and spices.
((2R,5R)-2-Benzyl-5-(prop-2-yn-1-yloxy)piperidin-1-yl)(4-(bis(4-fluorophenyl)(hydroxy)methyl)-2H-1,2,3-triazol-2-yl)methanone
4-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]-6-[[(E)-4-(dimethylamino)but-2-enyl]amino]-7-ethoxyquinoline-3-carbonitrile
comuside
Cornuside is a natural product found in Cornus officinalis and Phellodendron amurense with data available. Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1]. Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1].
Satratoxin F
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE isolated standard
3,4,5-Trihydroxystilbene 4-O-beta-D-(6-O-galloyl)glucopyranoside
7beta,8beta-2,3-Diepoxyroridin H
15-Benzoyl-10-deacetyl-2-debenzoyl-10-dehydro-abeo-baccatin III
(3S,4S)-3,4-trans-2,7-Dihydroxy-4-methoxy-4-[(3S)-2,7-dihydroxy-4-methoxyisoflavan-5-yl]isoflavan
Cornuside
Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1]. Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1].
Bruceantarin
Bruceantarin is a natural product found in Brucea javanica with data available.
(E)-resveratrol 3-(6-galloyl)-O-beta-D-glucopyranoside
(3R,4S,3S)-4-(6,7-Dihydroxy-4-methoxyisoflavan-3-yl)-2,7-dihydroxy-4-methoxyisoflavan
(2S,3S)-pterosin C 3-O-beta-(4-p-coumaroyl)-glucopyranoside|multifidoside A
4-(4-O-beta-D-glucopyranosylphenoxy)-1-O-beta-glucopyranosyl-1,3-benzenediol
5-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]-8-hydroxybergaptol
erythro-4,7,9,5,9-pentahydroxy-3-methoxy-8-O-4-neolignan-3-O-beta-D-glucopyranoside
(1R,2S,4S,5S,6R,7R,9S,10S)-1,2,6,9,15-pentaacetoxy-4-hydroxy-8-oxodihydro-beta-agarofuran
clei B
Cleistanthin B is a member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a beta-D-glucopyranosyl group. It has a role as an antihypertensive agent, an alpha-adrenergic antagonist and a diuretic. It is a member of cleistanthins, a beta-D-glucoside and a monosaccharide derivative. Cleistanthin B is a natural product found in Haplophyllum cappadocicum, Cleistanthus collinus, and other organisms with data available. A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a beta-D-glucopyranosyl group.
6-methoxy-2-oxo-2H-chromen-7-yl 2-O-acetyl-6-O-(6-deoxyhexopyranosyl)hexopyranoside
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.739 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.740 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.735
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] acetate
C24H30O14_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-, alpha-[2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3Z,4S)
methyl (2S,3R,4S)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate [IIN-based: Match]
Cys Glu Glu Tyr
Cys Glu Tyr Glu
Cys Phe His His
Cys His Phe His
Cys His His Phe
Cys Tyr Glu Glu
Asp Asp Phe Phe
Asp Asp Met Tyr
Asp Asp Tyr Met
Asp Phe Asp Phe
Asp Phe Phe Asp
Asp Phe Met Met
Asp Met Asp Tyr
Asp Met Phe Met
Asp Met Met Phe
Asp Met Tyr Asp
Asp Tyr Asp Met
Asp Tyr Met Asp
Glu Cys Glu Tyr
Glu Cys Tyr Glu
Glu Glu Cys Tyr
Glu Glu Glu His
Glu Glu His Glu
Glu Glu Tyr Cys
Glu His Glu Glu
Glu Met Thr Tyr
Glu Met Tyr Thr
Glu Thr Met Tyr
Glu Thr Tyr Met
Glu Tyr Cys Glu
Glu Tyr Glu Cys
Glu Tyr Met Thr
Glu Tyr Thr Met
Phe Cys His His
Phe Asp Asp Phe
Phe Asp Phe Asp
Phe Asp Met Met
Phe Phe Asp Asp
Phe His Cys His
Phe His His Cys
Phe Met Asp Met
Phe Met Met Asp
His Cys Phe His
His Cys His Phe
His Glu Glu Glu
His Phe Cys His
His Phe His Cys
His His Cys Phe
His His Phe Cys
Met Asp Asp Tyr
Met Asp Phe Met
Met Asp Met Phe
Met Asp Tyr Asp
Met Glu Thr Tyr
Met Glu Tyr Thr
Met Phe Asp Met
Met Phe Met Asp
Met Met Asp Phe
Met Met Phe Asp
Met Met Met Met
Met Thr Glu Tyr
Met Thr Tyr Glu
Met Tyr Asp Asp
Met Tyr Glu Thr
Met Tyr Thr Glu
Thr Glu Met Tyr
Thr Glu Tyr Met
Thr Met Glu Tyr
Thr Met Tyr Glu
Thr Tyr Glu Met
Thr Tyr Met Glu
Tyr Cys Glu Glu
Tyr Asp Asp Met
Tyr Asp Met Asp
Tyr Glu Cys Glu
Tyr Glu Glu Cys
Tyr Glu Met Thr
Tyr Glu Thr Met
Tyr Met Asp Asp
Tyr Met Glu Thr
Tyr Met Thr Glu
Tyr Thr Glu Met
Tyr Thr Met Glu
Resveratrol 4'-(6-galloylglucoside)
Resveratrol 4'-(2-galloylglucoside)
Italidipyrone
ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate (dihydrochloride)
N-Benzyloxycarbonyl-L-lysine benzyl ester p-toluenesulfonate
2,9-diphenylanthra[2,1,9-def:6,5,10-def]diisoquinoline-1,3,8,10(2H,9H)-tetrone
(r)-1-[(s)-2-(di-tert.-butylphosphino)ferrocenyl]ethyldiphenylphosphine
(s)-1-[(r)-2-(di-tert.-butylphosphino)ferrocenyl]ethyldiphenylphosphine
disodium 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] 2-sulphonatosuccinate
(s)-1-[(r)-2-(diphenylphosphino)ferrocenyl]-ethyldi-tert.-butylphosphine
(R)-(-)-[(S)-2-(Diphenylphosphino(ferrocenyl]ethyldi-tert-butylphosphine
(R,R)-N-Benzyl-3,4-trans-(N-Boc)-diaminopyrrolidine
N-[2-morpholin-4-yl-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
dTDP-alpha-D-forosamine(1-)
A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-alpha-D-forosamine; major species at pH 7.3.
CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid
A CMP-sugar having 8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid as the sugar component.
((2R,5R)-2-Benzyl-5-(prop-2-yn-1-yloxy)piperidin-1-yl)(4-(bis(4-fluorophenyl)(hydroxy)methyl)-2H-1,2,3-triazol-2-yl)methanone
4-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]-6-[[(E)-4-(dimethylamino)but-2-enyl]amino]-7-ethoxyquinoline-3-carbonitrile
2-(4-Morpholinyl)-5-[[oxo-[2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-3-furanyl]methyl]amino]benzoic acid methyl ester
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(E)-[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide
dehydroepiandrosterone 3-O-(3-sulfo-beta-D-glucuronide)(2-)
N-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] acetate
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] pentanoate
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] butanoate
Benzene-1,2,4,5-tetracarboxylic acid tetra(trimethylsilyl) ester
Flocoumafen
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
Plixorafenib
PLX8394 is a potent and selective BRaf inhibitor, with an IC50 of appr 5 nM for BRAFV600E.
RAF709
RAF709 is a potent, selective, and efficacious RAF inhibitor with IC50s of 0.4 nM and 0.5 nM for BRAF and CRAF, respectively[1]. Antitumor efficacy[1].
(1r,2e,4z,8r,9s,11r,13r,18r,22e,24r)-26,27-dihydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaspiro[hexacyclo[21.4.3.1⁸,¹¹.0¹,²⁴.0⁹,¹⁸.0¹³,¹⁸]hentriacontane-10,2'-oxirane]-2,4,14,22-tetraene-6,21-dione
1-(1-hydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone; 6-methyloxane-2,3,4,5-tetrol
(1s,3r,5r,9s,10s,12r,15r,17s,18r,19r,20s,23e,25e,27r,28r)-3,13,19,28-tetramethyl-4,7,11,16,21,29,30-heptaoxaspiro[heptacyclo[25.2.1.1¹⁷,²⁰.0³,⁵.0⁹,¹⁵.0⁹,¹⁹.0¹⁰,¹²]hentriacontane-18,2'-oxirane]-13,23,25-triene-6,22-dione
methyl 2-[11-(acetyloxy)-14-(furan-3-yl)-2,7,7,9,13-pentamethyl-6,16-dioxo-3,15-dioxapentacyclo[8.7.0.0¹,¹³.0²,¹⁰.0⁴,⁹]heptadec-4-en-8-yl]-2-hydroxyacetate
methyl (2z)-3-[(1r,2r,4s,7s,8s,11r,12s,16s,17r)-17-(acetyloxy)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
(1r,2r,4s,5r,7r,11r,12s,15s,18s,19r,20s,21s,23r,26s)-4,15-dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.1¹,²⁰.0²,¹².0⁵,⁷.0⁵,¹¹.0¹⁵,¹⁹.0¹⁸,²³.0²¹,²⁶]triacont-8-ene-10,16,25,30-tetrone
(1s,2s,3r,4s,7r,9s,10s,11s,14s)-4-(acetyloxy)-9,11,14-trihydroxy-10,13,16,16-tetramethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.0¹,¹².0³,¹⁰.0⁴,⁷]octadec-12-en-2-yl benzoate
[(2r,3s,4s,5r,6r)-6-{[(3as,6ar,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(1s,2s,3r,4s,7r,9s,10s,14s)-4-(acetyloxy)-9,11,14-trihydroxy-10,13,16,16-tetramethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.0¹,¹².0³,¹⁰.0⁴,⁷]octadec-12-en-2-yl benzoate
2-(2-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-hydroxy-5-(3-hydroxypropyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
4,4'-dihydroxy-6,6'-bis[2-(2-methoxyphenyl)ethyl]-3,3'-dimethyl-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone
13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate
methyl (1r,2s,3r,6r,8s,12s,13s,14r,15r,16s,17s)-3-(benzoyloxy)-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
(1r,3r,7s,12s,14r,15r,16s,17s,20z,22e,24s,28r)-24-acetyl-28-hydroxy-10,16-dimethyl-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20,22-triene-4,19-dione
methyl (1r,2s,3r,6r,8r,13s,14r,15r,16s)-3-(benzoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
(2e,4e,6e)-7-[(2s,3s,4as,4bs,6r,7r,8s,8ar,10ar)-6-(acetyloxy)-3-{[(1-carboxyeth-1-en-1-yl)oxy]carbonyl}-8-hydroxy-4a,7-dimethyl-4-oxo-1,2,3,4b,5,6,7,8,8a,10a-decahydrophenanthren-2-yl]hepta-2,4,6-trienoic acid
(2e,4e,6e)-7-[(2's,3s,4'as,4'bs,5r,6'r,7'r,8's,8'ar,10'ar)-6'-(acetyloxy)-8'-hydroxy-5-(hydroxymethyl)-4'a,7'-dimethyl-2,4,4'-trioxo-2',4'b,5',6',7',8',8'a,10'a-octahydro-1'h-spiro[oxolane-3,3'-phenanthren]-2'-yl]hepta-2,4,6-trienoic acid
(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(1s,2s)-5-(2-hydroxyethyl)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
[4,5,7,12-tetrakis(acetyloxy)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl acetate
6,19-dihydroxy-12-methoxy-1,15,22,26-tetramethyl-4,21,24-trioxaheptacyclo[21.3.1.0²,⁶.0³,¹⁹.0³,²².0⁷,¹⁶.0¹⁰,¹⁵]heptacosa-8,10-diene-5,14,20,25-tetrone
(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's)-2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate
methyl 2-[(1r,2r,5r,6r,12r,13r,15r,17r,18r)-13-(acetyloxy)-6-(furan-3-yl)-12,17-dihydroxy-1,5,15-trimethyl-8,14-dioxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹²,¹⁷]octadec-10-en-18-yl]acetate
(3r,4s)-3-(2-hydroxy-4-methoxyphenyl)-4-{4-hydroxy-5-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2-methoxyphenyl}-3,4-dihydro-2h-1-benzopyran-7-ol
(2s,3r,4s,5s,6r)-2-(2-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-hydroxy-5-(3-hydroxypropyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 3-[17-(acetyloxy)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
(1s,3r,10r,15s,17s,21s,22r,23r,25s,29r)-23-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacos-12-ene-5,14,19,24-tetrone
(1r,2r,5r,6s,10r,11r,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate
(22e)-24-acetyl-28-hydroxy-10,16-dimethyl-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20,22-triene-4,19-dione
4,5-dihydroxy-2-[(6-methoxy-2-oxochromen-7-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl acetate
(2s,3r,4r,5s,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
2-[(1r,2s,3s,5s,10s,11s,13r,16s)-16-(acetyloxy)-2,5,11-trihydroxy-6,10-dimethyl-8,9-dioxo-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-3-yl]propan-2-yl benzoate
10-deacetyl-10-oxobaccatin iii
{"Ingredient_id": "HBIN000083","Ingredient_name": "10-deacetyl-10-oxobaccatin iii","Alias": "NA","Ingredient_formula": "C29H34O10","Ingredient_Smile": "CC1=C2C(=O)C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C","Ingredient_weight": "542.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4762","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15812759","DrugBank_id": "NA"}
10-deacetyl-13-oxobaccatin iii
{"Ingredient_id": "HBIN000085","Ingredient_name": "10-deacetyl-13-oxobaccatin iii","Alias": "NA","Ingredient_formula": "C29H34O10","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1=O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","Ingredient_weight": "542.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4761","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15227070","DrugBank_id": "NA"}
15-benzoyl-10-deacetyl-2-debenzoyl-10-de-hydro-abeo-baccatin iii
{"Ingredient_id": "HBIN001623","Ingredient_name": "15-benzoyl-10-deacetyl-2-debenzoyl-10-de-hydro-abeo-baccatin iii","Alias": "NA","Ingredient_formula": "C29H34O10","Ingredient_Smile": "CC1=C2C(=O)C(=O)C3(C(CC4C(C3C(C2(CC1O)C(C)(C)OC(=O)C5=CC=CC=C5)O)(CO4)OC(=O)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2236","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2R,3S)- pterosin C 3- O- β-(4′- p- coumaroyl)- glucopyra-noside
{"Ingredient_id": "HBIN006501","Ingredient_name": "(2R,3S)- pterosin C 3- O- \u03b2-(4\u2032- p- coumaroyl)- glucopyra-noside","Alias": "NA","Ingredient_formula": "C29H34O10","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)C)CCO)C)OC3C(C(C(C(O3)CO)OC(=O)C=CC4=CC=C(C=C4)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41783","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S,3S)- pterosin C 3- O- β-(4′- p- coumaroyl)- glucopyranoside
{"Ingredient_id": "HBIN006729","Ingredient_name": "(2S,3S)- pterosin C 3- O- \u03b2-(4\u2032- p- coumaroyl)- glucopyranoside","Alias": "NA","Ingredient_formula": "C29H34O10","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)C)CCO)C)OC3C(C(C(C(O3)CO)OC(=O)C=CC4=CC=C(C=C4)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41782","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,4'-trihydroxystilbene-4'-(6''-galloyl)-glucoside
{"Ingredient_id": "HBIN007538","Ingredient_name": "3,5,4'-trihydroxystilbene-4'-(6''-galloyl)-glucoside","Alias": "NA","Ingredient_formula": "C27H26O12","Ingredient_Smile": "C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32133","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3α,3β-carboxyvincoside lactam
{"Ingredient_id": "HBIN007917","Ingredient_name": "3\u03b1,3\u03b2-carboxyvincoside lactam","Alias": "NA","Ingredient_formula": "C27H30N2O10","Ingredient_Smile": "C=CC1C2CC3C4=C(CC(N3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C(=O)O)C6=CC=CC=C6N4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3186","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(6',7-dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan; (3r,4s,3''s)-form
{"Ingredient_id": "HBIN010056","Ingredient_name": "4-(6',7-dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan; (3r,4s,3''s)-form","Alias": "NA","Ingredient_formula": "C32H30O8","Ingredient_Smile": "NA","Ingredient_weight": "542.58","OB_score": "NA","CAS_id": "100477-97-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7962","PubChem_id": "NA","DrugBank_id": "NA"}
5,6-o-β-d-diglucopyranosylangelicin
{"Ingredient_id": "HBIN011155","Ingredient_name": "5,6-o-\u03b2-d-diglucopyranosylangelicin","Alias": "NA","Ingredient_formula": "C23H26O15","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C(C3=C2C=CO3)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5527","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-(3,4,5-trimethoxybenzoyl)-ajugol
{"Ingredient_id": "HBIN012579","Ingredient_name": "6-o-(3,4,5-trimethoxybenzoyl)-ajugol","Alias": "NA","Ingredient_formula": "C25H34O13","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21878","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}